Structure of PDB 6f6j Chain D Binding Site BS02

Receptor Information
>6f6j Chain D (length=326) Species: 479433 (Catenulispora acidiphila DSM 44928) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PEVSAILVLTSSEASTLERVADLVTAHALYAAHDFCAQAQLAAAELPSRV
VARLQEFAWGDMNEGHLLIKGLPQVRSLPPTPTSNVHAVAATTPMSRYQA
LINECVGRMIAYEAEGHGHTFQDMVPSAMSAHSQTSLGSAVELELHTEQA
FSPLRPDFVSLACLRGDPRALTYLFSARQLVATLTTQEIAMLREPMWTTT
VDESFLAEGRTFLLGFERGPIPILSGADDDPFIVFDQDLMRGISAPAQEL
QQTVIRAYYAERVSHCLAPGEMLLIDNRRAVHGRSIFAPRFDGADRFLSR
SFIVADGSRSRHARSSFGRVVSARFS
Ligand information
Ligand IDCUW
InChIInChI=1S/C6H14N2O3/c7-3-1-2-4(9)5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1
InChIKeyYSVMULOOWPBERR-UHNVWZDZSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NCCC[C@@H](O)[C@H](N)C(O)=O
CACTVS 3.385NCCC[CH](O)[CH](N)C(O)=O
OpenEye OEToolkits 2.0.6C(C[C@H]([C@@H](C(=O)O)N)O)CN
OpenEye OEToolkits 2.0.6C(CC(C(C(=O)O)N)O)CN
FormulaC6 H14 N2 O3
Name(2~{S},3~{R})-2,6-bis(azanyl)-3-oxidanyl-hexanoic acid;
3-hydroxy-L-lysine
ChEMBL
DrugBank
ZINCZINC000001708924
PDB chain6f6j Chain D Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6f6j Structural Studies based on two Lysine Dioxygenases with Distinct Regioselectivity Brings Insights Into Enzyme Specificity within the Clavaminate Synthase-Like Family.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Q166 T167 S168 L175 H178 E180 D234 S236 D268 R332
Binding residue
(residue number reindexed from 1)		Q134 T135 S136 L143 H146 E148 D202 S204 D236 R300
Annotation score5
Enzymatic activity
Enzyme Commision number 1.14.11.-
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0016706 2-oxoglutarate-dependent dioxygenase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:6f6j, PDBe:6f6j, PDBj:6f6j
PDBsum6f6j
PubMed30410048
UniProtC7QJ42|LYS3O_CATAD L-lysine 3-hydroxylase (Gene Name=Caci_0231)

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